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13,14-didodecyloctacosan-13-ylazanium nitrate

13,14-didodecyloctacosan-13-ylazanium nitrate

Systemtic Name:13,14-didodecyloctacosan-13-ylazanium nitrate
Openeye Name:1,1,2-tridodecylhexadecylammonium nitrate
CAS Name:13,14-didodecyloctacosan-13-ylammonium nitrate
IUPAC Name:13,14-didodecyloctacosan-13-ylazanium nitrate
Traditional Name:1,1,2-trilaurylhexadecylammonium nitrate
Formula: C52H108N2O3
MolecularWeight: 809.42552
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[N+](=O)([O-])[O-]


Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)[NH3+].[N+](=O)([O-])[O-]


InChI

InChI=1S/C52H107N.NO3/c1-5-9-13-17-21-25-29-30-32-36-40-44-48-51(47-43-39-35-31-26-22-18-14-10-6-2)52(53,49-45-41-37-33-27-23-19-15-11-7-3)50-46-42-38-34-28-24-20-16-12-8-4;2-1(3)4/h51H,5-50,53H2,1-4H3;/q;-1/p+1


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